2-Chloro-N-{2-[4-(Piperidine-4-Sulfonyl)-Phenylamino]-Pyrimidin-5-yl}-5-(3-Trifluoromethyl-Benzoylamino)-Benzamide
Basic information
- Standard SMILES
O=C(Nc1ccc(Cl)c(C(=O)Nc2cnc(Nc3ccc(S(=O)(=O)C4CCNCC4)cc3)nc2)c1)c1cccc(C(F)(F)F)c1- InChIKey
DFHRHUCDVDHPEY-UHFFFAOYSA-N- Molecular formula
- C30H26ClF3N6O4S
- Average molar mass
- 659.1 g/mol
Names & identifiers
- Preferred name
- 2-Chloro-N-{2-[4-(Piperidine-4-Sulfonyl)-Phenylamino]-Pyrimidin-5-yl}-5-(3-Trifluoromethyl-Benzoylamino)-Benzamide
- IUPAC
- 2-chloro-N-[2-(4-piperidin-4-ylsulfonylanilino)pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide
Names & synonyms
2-Chloro-N-{2-[4-(Piperidine-4-Sulfonyl)-Phenylamino]-Pyrimidin-5-yl}-5-(3-Trifluoromethyl-Benzoylamino)-BenzamideSCHEMBL2497186
Database identifiers
- PubChem CID
- 24960367
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 151 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 8
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 1,110
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Related reactions
2 records
Compound notes
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